Vitas-M small molecule compound

7-[(2E)-but-2-en-1-yl]-3-methyl-8-[(4-methylbenzyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK806172
SMILES C/C=C/Cn1c(SCc2ccc(cc2)C)nc2c1c(=O)[nH]c(=O)n2C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C18H20N4O2S MW 356.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4O2S/c1-4-5-10-22-14-15(21(3)17(24)20-16(14)23)19-18(22)25-11-13-8-6-12(2)7-9-13/h4-9H,10-11H2,1-3H3,(H,20,23,24)/b5-4+
InChIKey
KSOGBNJKDMJUNN-SNAWJCMRSA-N
Synonyms
1164480-88-9
(E)7(but2en1yl)3methyl8((4methylbenzyl)thio)1Hpurine26(3H7H)dione
1164480889
7((2E)but2en1yl)3methyl8((4methylbenzyl)sulfanyl)37dihydro1Hpurine26dione
7((2E)BUT2ENYL)3METHYL8((4METHYLPHENYL)METHYLTHIO)137TRIHYDROPURINE26DIONE
7((E)BUT2ENYL)3METHYL8((4METHYLPHENYL)METHYLSULFANYL)PURINE26DIONE
7((E)BUT2ENYL)3METHYL8(4METHYLBENZYLSULFANYL)37DIHYDROPURINE26DIONE
7BUT2ENYL3METHYL8(4METHYLBENZYLSULFANYL)37DIHYDROPURINE26DIONE
CC=CCn1c(SCc2ccc(cc2)C)nc2c1c(=O)(nH)c(=O)n2C
CC=CCN1C2=C(N=C1SCC3=CC=C(C=C3)C)N(C(=O)NC2=O)C
InChI=1SC18H20N4O2Sc14510221415(21(3)17(24)2016(14)23)1918(22)2511138612(2)7913h49H1011H213H3(H202324)b54+
MFCD01554004
ZINC000012532175
ZINC12532175

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Available files

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